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Compound InformationSONAR Target prediction
Name:

LECANORIC ACID

Unique Identifier:SPE00200070
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:304.167 g/mol
X log p:8.169  (online calculus)
Lipinksi Failures1
TPSA43.37
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:7
Rotatable Bond Count:4
Canonical Smiles:Cc1cc(O)cc(O)c1C(=O)Oc1cc(C)c(C(O)=O)c(O)c1
Class:depside
Source:Common constituent of lichens
Reference:Monatsh Chem 61:147 (1932)

Found: 205 nonactive as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [205]
Species: 4932
Condition: APC9
Replicates: 2
Raw OD Value: r im 0.7148±0.0053033
Normalized OD Score: sc h 1.0126±0.000613665
Z-Score: 0.6858±0.0229986
p-Value: 0.492922
Z-Factor: -5.69524
Fitness Defect: 0.7074
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:3|E6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:21.50 Celcius
Date:2007-11-22 YYYY-MM-DD
Plate CH Control (+):0.04165±0.00070
Plate DMSO Control (-):0.691225±0.02158
Plate Z-Factor:0.8986
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DBLink | Rows returned: 5
10829 2-hydroxy-4-(2-hydroxy-4-methoxy-6-methyl-benzoyl)oxy-6-methyl-benzoic acid
99613 4-(2,4-dihydroxy-6-methyl-benzoyl)oxy-2-hydroxy-6-methyl-benzoic acid
135728 4-[4-(2,4-dihydroxy-6-methyl-benzoyl)oxy-2-hydroxy-6-methyl-benzoyl]oxy-2-hydroxy-6-methyl-benzoic acid
1550196 4-[4-(2,4-dihydroxy-6-methyl-benzoyl)oxy-2-hydroxy-6-methyl-benzoyl]oxy-2-hydroxy-6-methyl-benzoate
6954686 2-hydroxy-4-(2-hydroxy-4-methoxy-6-methyl-benzoyl)oxy-6-methyl-benzoate

internal high similarity DBLink | Rows returned: 1
SPE00200061 1.0000

active | Cluster 13178 | Additional Members: 8 | Rows returned: 3
SPE00210072 0.478260869565217
SPE00200061 0.471698113207547
SPE00200002 0

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